1-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-1-butyl-3-(3-methylphenyl)thiourea

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-1-butyl-3-(3-methylphenyl)thiourea Openeye Name: 1-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-1-butyl-3-(m-tolyl)thiourea CAS Name: 1-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-1-butyl-3-(3-methylphenyl)thiourea IUPAC Name: 1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-(3-methylphenyl)thiourea Traditional Name: 1-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-1-butyl-3-(m-tolyl)thiourea Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=S)NC2=CC=CC(=C2)C

InChI

InChI=1S/C19H27N5O2S/c1-4-6-11-23(19(27)21-14-9-7-8-13(3)12-14)15-16(20)24(10-5-2)18(26)22-17(15)25/h7-9,12H,4-6,10-11,20H2,1-3H3,(H,21,27)(H,22,25,26)