2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-methylamino]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NCC2=CN(N=C2)C3=CC=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)CC(=O)NCC2=CN(N=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C21H27N7O3/c1-3-4-10-27-19(22)18(20(30)25-21(27)31)26(2)14-17(29)23-11-15-12-24-28(13-15)16-8-6-5-7-9-16/h5-9,12-13H,3-4,10-11,14,22H2,1-2H3,(H,23,29)(H,25,30,31)