1-(4-chlorophenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea CAS Name: 1-[[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]-3-(4-chlorophenyl)thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(4,6-dipyrrolidino-s-triazin-2-yl)amino]thiourea Formula: C18H23ClN8S MolecularWeight: 418.94682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NNC(=S)NC3=CC=C(C=C3)Cl)N4CCCC4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)NNC(=S)NC3=CC=C(C=C3)Cl)N4CCCC4

InChI

InChI=1S/C18H23ClN8S/c19-13-5-7-14(8-6-13)20-18(28)25-24-15-21-16(26-9-1-2-10-26)23-17(22-15)27-11-3-4-12-27/h5-8H,1-4,9-12H2,(H2,20,25,28)(H,21,22,23,24)