1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-methyl-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-methyl-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-1-methyl-3-(2-methylallyl)thiourea CAS Name: 1-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-1-methyl-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-methyl-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-1-methyl-3-(2-methylallyl)thiourea Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2S/c1-11(2)9-19-17(25)21(3)13-14(18)22(16(24)20-15(13)23)10-12-7-5-4-6-8-12/h4-8H,1,9-10,18H2,2-3H3,(H,19,25)(H,20,23,24)