1-[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]amino]-3-cyclohexyl-thiourea

Systemtic Name: 1-[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]amino]-3-cyclohexyl-thiourea Openeye Name: 1-cyclohexyl-3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]thiourea CAS Name: 1-cyclohexyl-3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]thiourea IUPAC Name: 1-cyclohexyl-3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]thiourea Traditional Name: 1-cyclohexyl-3-[(4,6-dianilino-s-triazin-2-yl)amino]thiourea Formula: C22H26N8S MolecularWeight: 434.56044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=S)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H26N8S/c31-22(25-18-14-8-3-9-15-18)30-29-21-27-19(23-16-10-4-1-5-11-16)26-20(28-21)24-17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,25,30,31)(H3,23,24,26,27,28,29)