1-[2-[4-methyl-6-oxidanylidene-2-[(phenylmethyl)amino]pyrimidin-1-yl]ethanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-[4-methyl-6-oxidanylidene-2-[(phenylmethyl)amino]pyrimidin-1-yl]ethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-[2-(benzylamino)-4-methyl-6-oxo-pyrimidin-1-yl]acetyl]amino]thiourea CAS Name: 1-[[2-[4-methyl-6-oxo-2-[(phenylmethyl)amino]-1-pyrimidinyl]-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-[2-(benzylamino)-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-[2-(benzylamino)-6-keto-4-methyl-pyrimidin-1-yl]acetyl]amino]thiourea Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)NCC2=CC=CC=C2)CC(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)NCC2=CC=CC=C2)CC(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H24N6O2S/c1-16-12-20(30)28(21(25-16)23-13-17-8-4-2-5-9-17)15-19(29)26-27-22(31)24-14-18-10-6-3-7-11-18/h2-12H,13-15H2,1H3,(H,23,25)(H,26,29)(H2,24,27,31)