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

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-ethyl-1-(3-methylbutyl)thiourea Openeye Name: 1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-ethyl-1-isopentyl-thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-ethyl-1-(3-methylbutyl)thiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-ethyl-1-(3-methylbutyl)thiourea Traditional Name: 1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-3-ethyl-1-isoamyl-thiourea Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2S/c1-4-21-19(27)23(11-10-13(2)3)15-16(20)24(18(26)22-17(15)25)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12,20H2,1-3H3,(H,21,27)(H,22,25,26)