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

Systemtic Name: [4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-(2-thienyl)methanone Formula: C23H23N7O3S MolecularWeight: 477.53882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)C(=O)C5=CC=CS5)OC

InChI

InChI=1S/C23H23N7O3S/c1-32-16-6-5-14(12-17(16)33-2)15-13-25-20-19(26-15)21(28-23(24)27-20)29-7-9-30(10-8-29)22(31)18-4-3-11-34-18/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,27,28)