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

Systemtic Name: 1-(3-chlorophenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea Openeye Name: 1-(3-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-(3-chlorophenyl)thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]thiourea Traditional Name: 1-(3-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(=CC=C3)Cl)N4CCCC4

Isomeric SMILES

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

InChI

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