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

Systemtic Name: 1-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(4,6-dimorpholino-s-triazin-2-yl)amino]-3-(4-nitrophenyl)thiourea Formula: C18H23N9O4S MolecularWeight: 461.49812

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C18H23N9O4S/c28-27(29)14-3-1-13(2-4-14)19-18(32)24-23-15-20-16(25-5-9-30-10-6-25)22-17(21-15)26-7-11-31-12-8-26/h1-4H,5-12H2,(H2,19,24,32)(H,20,21,22,23)