Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL NC(=O)c1cccnc1 9 9 0 0 0 0 1 V2000 1.3600 1.5300 0.0000 N 0 0 0 0 0 0 1.1000 2.5100 0.0000 C 0 0 0 0 0 0 1.8200 3.2300 0.0000 O 0 0 0 0 0 0 0.1200 2.7700 0.0000 C 0 0 0 0 0 0 -0.1200 3.7200 0.0000 C 0 0 0 0 0 0 -1.1000 3.9900 0.0000 C 0 0 0 0 0 0 -1.8200 3.2800 0.0000 C 0 0 0 0 0 0 -1.5600 2.3100 0.0000 N 0 0 0 0 0 0 -0.5900 2.0500 0.0000 C 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 M END