[4-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-imidazol-1-yl-methanethione

Systemtic Name: [4-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-imidazol-1-yl-methanethione Openeye Name: [4-[4,6-bis(allylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-imidazol-1-yl-methanethione CAS Name: [4-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]-1-piperazinyl]-(1-imidazolyl)methanethione IUPAC Name: [4-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-imidazol-1-ylmethanethione Traditional Name: [4-[4,6-bis(allylamino)-s-triazin-2-yl]piperazino]-imidazol-1-yl-methanethione Formula: C17H23N9S MolecularWeight: 385.48982

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(=S)N3C=CN=C3)NCC=C

Isomeric SMILES

C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(=S)N3C=CN=C3)NCC=C

InChI

InChI=1S/C17H23N9S/c1-3-5-19-14-21-15(20-6-4-2)23-16(22-14)24-9-11-25(12-10-24)17(27)26-8-7-18-13-26/h3-4,7-8,13H,1-2,5-6,9-12H2,(H2,19,20,21,22,23)