2-azanyl-1-[4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-azanyl-1-[4-[6-chloranyl-7-[(phenylmethyl)amino]-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-amino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-yl-pteridin-2-yl]piperazin-1-yl]ethanone CAS Name: 2-amino-1-[4-[6-chloro-7-[(phenylmethyl)amino]-4-(1-pyrrolidinyl)-2-pteridinyl]-1-piperazinyl]ethanone IUPAC Name: 2-amino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-amino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidino-pteridin-2-yl]piperazino]ethanone Formula: C23H28ClN9O MolecularWeight: 481.98112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)CN

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)CN

InChI

InChI=1S/C23H28ClN9O/c24-19-21(26-15-16-6-2-1-3-7-16)28-20-18(27-19)22(32-8-4-5-9-32)30-23(29-20)33-12-10-31(11-13-33)17(34)14-25/h1-3,6-7H,4-5,8-15,25H2,(H,26,28,29,30)