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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-(3-methoxyphenyl)-1-(2-methylpropyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-isobutyl-3-(3-methoxyphenyl)thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-isobutyl-3-(3-methoxyphenyl)thiourea Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=S)NC2=CC(=CC=C2)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=S)NC2=CC(=CC=C2)OC)N

InChI

InChI=1S/C20H29N5O3S/c1-5-6-10-24-17(21)16(18(26)23-19(24)27)25(12-13(2)3)20(29)22-14-8-7-9-15(11-14)28-4/h7-9,11,13H,5-6,10,12,21H2,1-4H3,(H,22,29)(H,23,26,27)