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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-butyl-1-(3-methylbutyl)thiourea Openeye Name: 1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-butyl-1-isopentyl-thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-butyl-1-(3-methylbutyl)thiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-(3-methylbutyl)thiourea Traditional Name: 1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-3-butyl-1-isoamyl-thiourea Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CCC(C)C)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

Isomeric SMILES

CCCCNC(=S)N(CCC(C)C)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C21H31N5O2S/c1-4-5-12-23-21(29)25(13-11-15(2)3)17-18(22)26(20(28)24-19(17)27)14-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14,22H2,1-3H3,(H,23,29)(H,24,27,28)