N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-ethyl-N-methyl-benzotriazole-5-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-ethyl-N-methyl-benzotriazole-5-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-1-ethyl-N-methyl-benzotriazole-5-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-1-ethyl-N-methyl-5-benzotriazolecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-N-methylbenzotriazole-5-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-1-ethyl-N-methyl-benzotriazole-5-carboxamide Formula: C21H21N7O3 MolecularWeight: 419.43654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N(C)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N)N=N1

InChI

InChI=1S/C21H21N7O3/c1-3-28-16-10-9-14(11-15(16)24-25-28)20(30)26(2)17-18(22)27(21(31)23-19(17)29)12-13-7-5-4-6-8-13/h4-11H,3,12,22H2,1-2H3,(H,23,29,31)