6-azanyl-1-cyclopropyl-5-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-cyclopropyl-5-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-cyclopropyl-5-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-cyclopropyl-5-[2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-cyclopropyl-5-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-cyclopropyl-5-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C22H21N7O3S MolecularWeight: 463.51224

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6)N

Isomeric SMILES

C1CC1N2C(=C(C(=O)NC2=O)C(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6)N

InChI

InChI=1S/C22H21N7O3S/c23-18-17(20(31)25-21(32)28(18)11-5-6-11)16(30)10-33-22-27-26-19(29(22)12-7-8-12)14-9-24-15-4-2-1-3-13(14)15/h1-4,9,11-12,26H,5-8,10,23H2,(H,25,31,32)