N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-chloranyl-N,3-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-chloranyl-N,3-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-benzyl-5-chloro-N,3-dimethyl-pyrazole-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-5-chloro-N,3-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-5-chloro-N,3-dimethylpyrazole-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-benzyl-5-chloro-N,3-dimethyl-pyrazole-4-carboxamide Formula: C21H25ClN6O3 MolecularWeight: 444.9146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C21H25ClN6O3/c1-4-5-11-27-18(23)16(19(29)24-21(27)31)26(3)20(30)15-13(2)25-28(17(15)22)12-14-9-7-6-8-10-14/h6-10H,4-5,11-12,23H2,1-3H3,(H,24,29,31)