(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)NC(=O)C4CC4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)NC(=O)C4CC4)C

InChI

InChI=1S/C21H22N6O3S/c1-11-12(2)31-18(26-17(28)13-8-9-13)16(11)19(29)30-10-15-24-20(22)27-21(25-15)23-14-6-4-3-5-7-14/h3-7,13H,8-10H2,1-2H3,(H,26,28)(H3,22,23,24,25,27)