1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]propan-1-one Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=NC(=NC3=NC=C(N=C32)C4=CC(=C(C=C4)OC)OC)N

InChI

InChI=1S/C21H25N7O3/c1-4-17(29)27-7-9-28(10-8-27)20-18-19(25-21(22)26-20)23-12-14(24-18)13-5-6-15(30-2)16(11-13)31-3/h5-6,11-12H,4,7-10H2,1-3H3,(H2,22,23,25,26)