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

Systemtic Name: 1-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(2-methylpropyl)-3-(phenylmethyl)thiourea Openeye Name: 1-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-benzyl-1-isobutyl-thiourea CAS Name: 1-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-(2-methylpropyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-benzyl-1-(2-methylpropyl)thiourea Traditional Name: 1-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-benzyl-1-isobutyl-thiourea Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=S)NCC2=CC=CC=C2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=S)NCC2=CC=CC=C2)N

InChI

InChI=1S/C20H29N5O2S/c1-4-5-11-24-17(21)16(18(26)23-19(24)27)25(13-14(2)3)20(28)22-12-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13,21H2,1-3H3,(H,22,28)(H,23,26,27)