3-ISOBUTYL-1-METHYL-2,6(1H,3H)-PURINEDIONE, ID: C28822584 NIST 24032812312D 1 1.00000 0.00000 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 16 17 0 0 0 1 V2000 2.3581 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 2.8598 0.8529 0.0000 N 0 0 0 0 0 0 0 0 0 1.4048 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 1.4048 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0.9031 2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 2.3581 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 2.8096 2.5086 0.0000 N 0 0 0 0 0 0 0 0 0 1.4048 3.3615 0.0000 N 0 0 0 0 0 0 0 0 0 0.9031 4.1642 0.0000 C 0 0 0 0 0 0 0 0 0 2.3581 3.3615 0.0000 C 0 0 0 0 0 0 0 0 0 2.8598 4.1642 0.0000 O 0 0 0 0 0 0 0 0 0 3.8130 2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0.0000 2.5086 0.0000 O 0 0 0 0 0 0 0 0 0 4.2646 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 5.2179 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 3.8130 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 3 1 1 0 0 0 2 6 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 4 2 0 0 0 8 5 1 0 0 0 5 13 2 0 0 0 6 7 1 0 0 0 7 10 1 0 0 0 7 12 1 0 0 0 8 9 1 0 0 0 10 8 1 0 0 0 10 11 2 0 0 0 12 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 M END